(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H20O6S/c1-3-14-6-9-18-17(11-20(22)27-19(18)10-14)12-26-21(23)16-7-4-15(5-8-16)13-28(2,24)25/h4-11H,3,12-13H2,1-2H3